SCHEMBL9976741

SCHEMBL9976741

CC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5ccccc5)cc5c(cc(-c6ccccc6)c6ccc(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)nc65)c4n3)cc21

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 7/20 0.35
ACACA Q13085 4/20 0.35
RARA P10276 1/20 0.32
TDO2 P48775 1/20 0.32
TOP1 P11387 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
AURKA O14965 1/20 0.31
AURKB Q96GD4 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9976749 0.95 PDK2 (0.35) PDK2ACACATDO2KDM4EALDH1A1
SCHEMBL2950434 0.91 ACACA (0.40) PDK2ACACATOP1KDM4EALDH1A1
SCHEMBL26563516 0.90 PDK2 (0.36) PDK2ACACATOP1KDM4EALDH1A1
SCHEMBL9976747 0.88 PDK2 (0.35) PDK2TOP1
SCHEMBL9976759 0.87 TOP1 (0.37) PDK2ACACATOP1
SCHEMBL19655412 0.86 PDK2 (0.36) PDK2ACACATDO2
SCHEMBL9976739 0.85 PDK2 (0.35) PDK2
SCHEMBL12429149 0.85 PDK2 (0.37) PDK2ACACA
SCHEMBL9980024 0.83 PDK2 (0.42) PDK2
SCHEMBL9976740 0.83 PDK2 (0.36) PDK2MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877354-B2 Heterocyclic compound and organic light-emitting device using the same CANON KABUSHIKI KAISHA (JP) 2014-11-04 US disclosed
US-8877354-B2 Heterocyclic compound and organic light-emitting device using the same CANON KABUSHIKI KAISHA (JP) 2014-11-04 US disclosed
US-20120153270-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE SAME CANON KABUSHIKI KAISHA (JP) 2012-06-21 US disclosed
US-20120153270-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE SAME CANON KABUSHIKI KAISHA (JP) 2012-06-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120153270-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE SAME ORC3, CYP1A1, CRY1 PDK2 523/4885ACACA 2020/4885RARA 1349/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.